# generated using pymatgen
data_MgFeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39599262
_cell_length_b   3.39603274
_cell_length_c   8.02404096
_cell_angle_alpha   77.69287854
_cell_angle_beta   77.69445430
_cell_angle_gamma   59.99698290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeCuS2
_chemical_formula_sum   'Mg1 Fe1 Cu1 S2'
_cell_volume   77.67507170
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.45836500  0.45332200  0.63339500  1.0
  Fe  Fe1  1  0.98796400  0.98615700  0.03850300  1.0
  Cu  Cu2  1  0.87735500  0.86997100  0.38005400  1.0
  S  S3  1  0.71308700  0.71150800  0.86404400  1.0
  S  S4  1  0.27451400  0.27247100  0.17842200  1.0